Commits · 94c67203dcd4789b758fa78322af636797da2dd0 · OpenDAS / dgl

03 Feb, 2020 1 commit

[DGL-LifeSci] Migration and Refactor (#1226) · 828a5e5b

Mufei Li authored Feb 04, 2020

* First commit

* Update

* Update splitters

* Update

* Update

* Update

* Update

* Update

* Update

* Migrate ACNN

* Fix

* Fix

* Update

* Update

* Update

* Update

* Update

* Update

* Finish classification

* Update

* Fix

* Update

* Update

* Update

* Fix

* Fix

* Fix

* Update

* Update

* Update

* trigger CI

* Fix CI

* Update

* Update

* Update

* Add default values

* Rename

* Update deprecation message

828a5e5b

19 Dec, 2019 1 commit

[Chem] ACNN and various utilities (#1117) · cf9ba90f

Mufei Li authored Dec 19, 2019

* Add several splitting methods

* Update

* Update

* Update

* Update

* Update

* Fix

* Update

* Update

* Update

* Update

* Fix

* Fix

* Fix

* Fix

* Fix

* Update

* Update

* Update

* Update

* Update

* Update

* Update

* Finally

* CI

cf9ba90f

25 Oct, 2019 1 commit
- [Model Zoo] AttentiveFP (#955) · 52c7ef49
  Mufei Li authored Oct 26, 2019
```
* Update

* Fix style

* Update

* Update

* Fix

* Update

* Update
```
  52c7ef49
21 Oct, 2019 1 commit
- [Model Zoo] Refactor and Add Utils for Chemistry (#928) · 577cf2e6
  Mufei Li authored Oct 22, 2019
```
* Refactor

* Add note

* Update

* CI
```
  577cf2e6
07 Sep, 2019 1 commit

[Model Zoo] Refactor Model Zoo for Chemistry (#839) · 189c2c09

Mufei Li authored Sep 07, 2019

* Update

* Update

* Update

* Update fix

* Update

* Update

* Refactor

* Update

* Update

* Update

* Update

* Update

* Update

* Fix style

189c2c09

27 Aug, 2019 1 commit
- [Model Zoo] Clean up for Alchemy dataset (#800) · 331337fe
  Mufei Li authored Aug 28, 2019
```
* Make dataset framework agnostic

* Update

* Update

* Fix

* Remove unused import
```
  331337fe
26 Aug, 2019 1 commit

[Model Zoo] Molecule Regression (#779) · 3bc73931

lunar authored Aug 26, 2019

* [Model] MPNN

* [Model] MPNN 🔨 reorganize the mpnn/sch/mgcn model & alchemy dataset

* [Model] MPNN alchemy dataloader refactoring

* [Model] Chem model zoo minor change

* [Model] Chem Model Zoo 🔥 remove old samples

* [Model Zoo] molecule regression minor change

* Fix dataset import

* Fix dataset import

* [Model Zoo] molecule regression test set

* [Model Zoo] molecule prediction MPNN model hyperparameter tuning

* [Model Zoo] molecule prediction ✏ mpnn performance update

3bc73931